N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide

C24H25N3OS — CID 15990456

IUPACN-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccccc1
InChIInChI=1S/C24H25N3OS/c1-3-27(20-8-5-4-6-9-20)13-7-12-25-23(28)22-16-19-15-18-11-10-17(2)14-21(18)26-24(19)29-22/h4-6,8-11,14-16H,3,7,12-13H2,1-2H3,(H,25,28)
InChIKeyPXTRMTZDZCXGBX-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.40
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide

N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15990456) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID15990456
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccccc1
InChIInChI=1S/C24H25N3OS/c1-3-27(20-8-5-4-6-9-20)13-7-12-25-23(28)22-16-19-15-18-11-10-17(2)14-21(18)26-24(19)29-22/h4-6,8-11,14-16H,3,7,12-13H2,1-2H3,(H,25,28)
InChIKeyPXTRMTZDZCXGBX-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide (CID 15990456) is N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide is CCN(CCCNC(=O)c1cc2cc3ccc(C)cc3nc2s1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PXTRMTZDZCXGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-3-27(20-8-5-4-6-9-20)13-7-12-25-23(28)22-16-19-15-18-11-10-17(2)14-21(18)26-24(19)29-22/h4-6,8-11,14-16H,3,7,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide?
N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-7-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15990456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).